1-Oxo-1,3-dihydroisobenzofuran-5-carbaldehyde
TL;DR: 1-Oxo-1,3-dihydroisobenzofuran-5-carbaldehyde (CAS 333333-34-9) is a chemical compound with molecular formula C9H6O3 and molecular weight 162.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxo-3H-2-benzofuran-5-carbaldehyde
Also Known As: 1-oxo-1,3-dihydroisobenzofuran-5-carbaldehyde, 5-formylphthalide, 5-formyl phthalide, 1,3-dihydro-1-oxo-5-Isobenzofurancarboxaldehyde, 1-Oxo-phthalan-5-carbaldehyd
| Molecular Formula | C9H6O3 |
|---|---|
| Molecular Weight | 162.03 g/mol |
| LogP | 1.1695 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.0317 |
| Heavy Atoms | 12 |
| Complexity | 354.79132 |
Chemical Identifiers
| CAS Number | 333333-34-9 |
|---|---|
| SMILES | C1C2=C(C=CC(=C2)C=O)C(=O)O1 |
Product Overview
1-Oxo-1,3-dihydroisobenzofuran-5-carbaldehyde (CAS 333333-34-9), with molecular formula C9H6O3 and molecular weight 162.03 g/mol. IUPAC: 1-oxo-3H-2-benzofuran-5-carbaldehyde.
Chemical Property Profile of 1-Oxo-1,3-dihydroisobenzofuran-5-carbaldehyde
Property Insights of 1-Oxo-1,3-dihydroisobenzofuran-5-carbaldehyde
The XLogP value of 1.1695 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Oxo-1,3-dihydroisobenzofuran-5-carbaldehyde. With a topological polar surface area (TPSA) of 43.37 Ų, 1-Oxo-1,3-dihydroisobenzofuran-5-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Oxo-1,3-dihydroisobenzofuran-5-carbaldehyde has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Oxo-1,3-dihydroisobenzofuran-5-carbaldehyde?
The CAS number of 1-Oxo-1,3-dihydroisobenzofuran-5-carbaldehyde is 333333-34-9.
What is the molecular formula of 1-Oxo-1,3-dihydroisobenzofuran-5-carbaldehyde?
The molecular formula of 1-Oxo-1,3-dihydroisobenzofuran-5-carbaldehyde is C9H6O3.
What is the molecular weight of 1-Oxo-1,3-dihydroisobenzofuran-5-carbaldehyde?
The molecular weight of 1-Oxo-1,3-dihydroisobenzofuran-5-carbaldehyde is 162.03 g/mol.
Where can I buy 1-Oxo-1,3-dihydroisobenzofuran-5-carbaldehyde?
You can request a quote for 1-Oxo-1,3-dihydroisobenzofuran-5-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Oxo-1,3-dihydroisobenzofuran-5-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-Oxo-1,3-dihydroisobenzofuran-5-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.